SCHEMBL3732791

SCHEMBL3732791

Nc1c(-c2nc3ccccc3[nH]2)cnc2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.52
CDK2 P24941 2/20 0.52
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
PDPK1 O15530 1/20 0.52
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
HPGD P15428 8/20 0.49
KDM4E B2RXH2 7/20 0.49
HSD17B10 Q99714 6/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
METAP2 P50579 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3731964 0.85 ADORA3 (0.53) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3745904 0.85 PDPK1 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL1054760 0.79 SLC2A1 (0.60) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3731117 0.78 RAB9A (0.62) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL3738781 0.78 SMN1; SMN2 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3727870 0.78 ADORA3 (0.50) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3741834 0.78 PTGES (0.55) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL12070828 0.77 NPC1 (0.67) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3728503 0.77 FGFR1 (0.56) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL1055259 0.77 FGFR1 (0.58) CDK1CBFBKDRTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
CN-1483028-A Quinolinone derivatives as tyrosine kinase inhibitors ϣ 2004-03-17 CN disclosed